ergo
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Test serial recursive expansion on a random symmetric matrix or matrix from a given binary file. Matrix in a binary file should contain only the upper triangle. Note: to get homo-lumo gap all matrix eigenvalues are computed. More...
#include "purification_sp2.h"
#include "purification_sp2acc.h"
#include "matrix_typedefs.h"
#include "realtype.h"
#include "matrix_utilities.h"
#include "integral_matrix_wrappers.h"
#include "SizesAndBlocks.h"
#include "Matrix.h"
#include "Vector.h"
#include "MatrixSymmetric.h"
#include "MatrixTriangular.h"
#include "MatrixGeneral.h"
#include "VectorGeneral.h"
#include "output.h"
#include <iostream>
#include <fstream>
#include <sstream>
#include <string.h>
#include "random_matrices.h"
#include "get_eigenvectors.h"
Macros | |
#define | SQRT_EPSILON_REAL template_blas_sqrt(mat::getMachineEpsilon<real>()) |
Typedefs | |
typedef ergo_real | real |
typedef symmMatrix | MatrixType |
typedef MatrixType::VectorType | VectorType |
Functions | |
int | main (int argc, char *argv[]) |
Variables | |
real | TOL_ERR_SUBS_DEFAULT = SQRT_EPSILON_REAL |
real | TOL_TRACE_ERROR_DEFAULT = SQRT_EPSILON_REAL |
Test serial recursive expansion on a random symmetric matrix or matrix from a given binary file. Matrix in a binary file should contain only the upper triangle. Note: to get homo-lumo gap all matrix eigenvalues are computed.
#define SQRT_EPSILON_REAL template_blas_sqrt(mat::getMachineEpsilon<real>()) |
typedef symmMatrix MatrixType |
typedef MatrixType::VectorType VectorType |
int main | ( | int | argc, |
char * | argv[] | ||
) |
References mat::MatrixSymmetric< Treal, Tmatrix >::assign_from_sparse(), PurificationGeneral< MatrixType >::clear(), PuriInfo::converged, mat::Interval< Treal >::empty(), mat::euclNorm, PurificationGeneral< MatrixType >::extract_computed_eigenpairs(), get_all_eigenvalues_of_matrix(), get_random_symm_matrix(), mat::Params::getMatrixParallelLevel(), mat::Params::getNProcs(), PurificationGeneral< MatrixType >::info, PurificationGeneral< MatrixType >::initialize(), MAX_DOUBLE, PuriInfo::print_collected_info_printf(), PurificationGeneral< MatrixType >::PurificationStart(), read_matrix_from_bin(), PurificationGeneral< MatrixType >::set_eigenvectors_params(), mat::Params::setMatrixParallelLevel(), mat::Params::setNProcs(), template_blas_fabs(), TOL_ERR_SUBS_DEFAULT, TOL_TRACE_ERROR_DEFAULT, and PurificationGeneral< MatrixType >::X.
real TOL_ERR_SUBS_DEFAULT = SQRT_EPSILON_REAL |
Referenced by main().
real TOL_TRACE_ERROR_DEFAULT = SQRT_EPSILON_REAL |
Referenced by main().